7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C25H23N5O2 — CID 58762012

IUPAC7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESN#Cc1c(C(N)=O)c2n(c1-c1ccccc1)CCN(C(=O)NC1Cc3ccccc3C1)C2
InChIInChI=1S/C25H23N5O2/c26-14-20-22(24(27)31)21-15-29(10-11-30(21)23(20)16-6-2-1-3-7-16)25(32)28-19-12-17-8-4-5-9-18(17)13-19/h1-9,19H,10-13,15H2,(H2,27,31)(H,28,32)
InChIKeyNCILWNKJBYFXHL-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.82
Rot. Bonds3

About 7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 58762012) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID58762012
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESN#Cc1c(C(N)=O)c2n(c1-c1ccccc1)CCN(C(=O)NC1Cc3ccccc3C1)C2
InChIInChI=1S/C25H23N5O2/c26-14-20-22(24(27)31)21-15-29(10-11-30(21)23(20)16-6-2-1-3-7-16)25(32)28-19-12-17-8-4-5-9-18(17)13-19/h1-9,19H,10-13,15H2,(H2,27,31)(H,28,32)
InChIKeyNCILWNKJBYFXHL-UHFFFAOYSA-N
XLogP2.82
TPSA104.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 58762012) is 7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is N#Cc1c(C(N)=O)c2n(c1-c1ccccc1)CCN(C(=O)NC1Cc3ccccc3C1)C2.
What is the InChIKey of 7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is NCILWNKJBYFXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c26-14-20-22(24(27)31)21-15-29(10-11-30(21)23(20)16-6-2-1-3-7-16)25(32)28-19-12-17-8-4-5-9-18(17)13-19/h1-9,19H,10-13,15H2,(H2,27,31)(H,28,32).
What are the key properties of 7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 425.49 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 58762012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).